3-aminopropanoic acid;2-carboxyethylazanium

C6H15N2O4+ — CID 158672686

IUPAC3-aminopropanoic acid;2-carboxyethylazanium
SMILESNCCC(=O)O.[NH3+]CCC(=O)O
InChIInChI=1S/2C3H7NO2/c2*4-2-1-3(5)6/h2*1-2,4H2,(H,5,6)/p+1
InChIKeyIEDIKTABXQYWBL-UHFFFAOYSA-O
MW179.20 g/mol
LogP-1.88
Rot. Bonds4

About 3-aminopropanoic acid;2-carboxyethylazanium

3-aminopropanoic acid;2-carboxyethylazanium (PubChem CID 158672686) has the molecular formula C6H15N2O4+ and a molecular weight of 179.20 g/mol. Its IUPAC name is 3-aminopropanoic acid;2-carboxyethylazanium.

Molecular Properties

Compound Name3-aminopropanoic acid;2-carboxyethylazanium
PubChem CID158672686
Molecular FormulaC6H15N2O4+
Molecular Weight179.20 g/mol
Exact Mass179.10
IUPAC Name3-aminopropanoic acid;2-carboxyethylazanium
SMILESNCCC(=O)O.[NH3+]CCC(=O)O
InChIInChI=1S/2C3H7NO2/c2*4-2-1-3(5)6/h2*1-2,4H2,(H,5,6)/p+1
InChIKeyIEDIKTABXQYWBL-UHFFFAOYSA-O
XLogP-1.88
TPSA128.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-1.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoic acid;2-carboxyethylazanium?
The IUPAC name of 3-aminopropanoic acid;2-carboxyethylazanium (CID 158672686) is 3-aminopropanoic acid;2-carboxyethylazanium.
What is the SMILES notation for 3-aminopropanoic acid;2-carboxyethylazanium?
The canonical SMILES for 3-aminopropanoic acid;2-carboxyethylazanium is NCCC(=O)O.[NH3+]CCC(=O)O.
What is the InChIKey of 3-aminopropanoic acid;2-carboxyethylazanium?
The InChIKey is IEDIKTABXQYWBL-UHFFFAOYSA-O. The full InChI is InChI=1S/2C3H7NO2/c2*4-2-1-3(5)6/h2*1-2,4H2,(H,5,6)/p+1.
What are the key properties of 3-aminopropanoic acid;2-carboxyethylazanium?
3-aminopropanoic acid;2-carboxyethylazanium has a molecular weight of 179.20 g/mol, XLogP of -1.88, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanoic acid;2-carboxyethylazanium is sourced from PubChem (CID 158672686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).